F-H⋯F-C hydrogen bonds - The influence of hybridization of carbon atom connected with F-acceptor on their properties

Chemical Physics

Volumn 327, Issue 2-3, 2006, Pages 202-208

  Checińska, Lilianna ^a   Grabowski, Sławomir J ^a  

^a UNIVERSITY OF LODZ   (Poland)

Author keywords

Ab initio calculations; AIM theory; Bond critical point; DFT method; F H F hydrogen bonding; Fluorine acceptor; Hybridization

Indexed keywords

EID: 33748113463     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.04.011     Document Type: Article

References (36)

1. Jeffrey G.A. An Introduction to Hydrogen Bonding (1997), Oxford University Press, New York
2. Desiraju G.R., and Steiner T. The Weak Hydrogen Bond in Structural Chemistry and Biology (1999), Oxford University Press, New York
3. Pauling L. The Nature of the Chemical Bond. third ed. (1960), Cornell University Press, Ithaca, NY
4. Suttor D.J. J. Chem. Soc. (1963) 1105
5. Taylor R., and Kennard O. J. Am. Chem. Soc. 104 (1982) 5063
6. Nishio M., Hirota M., and Umezawa Y. The CH/π Interaction, Evidence, Nature, and Consequences (1998), Wiley-VCH, Weinheim
7. Richardson T.B., de Gala S., Crabtree R.H., and Siegbahn P.E.M. J. Am. Chem. Soc. 117 (1995) 12875
8. Epstein L.M., and Shubina E.S. Coord. Chem. Rev. 231 (2002) 165
9. HB values are given in tables and are presented in figures.
10. Frish M.J., Del Bene J.E., Binkley J.S., and Schaefer H.F. J. Chem. Phys. 84 (1986) 2279
11. Dunitz J.D., and Taylor R. Chem. Eur. J. 3 (1997) 89
12. Allen F.H., Davies J.E., Galloy J.E., Johnson J.J., Kennard O., Macrave C.F., Mitchel E.M., Smith J.M., and Watson D.G. J. Chem. Inf. Comput. Sci. 31 (1991) 187
13. Hyla-Kryspin I., Haufe G., and Grimme S. Chem. Eur. J. 10 (2004) 3411
14. Alonso J.L., Antolínez S., Blanco S., Lesarri A., López J.C., and Caminati W. J. Am. Chem. Soc. 126 (2004) 3244
15. Karpfen A., and Kryachko E.S. J. Phys. Chem. A 107 (2003) 9724
16. Kryachko E.S., and Zeegers-Huyskens T. J. Phys. Chem. A 105 (2001) 7118
17. Espinosa E., and Molins E. J. Chem. Phys. 117 (2002) 5529
18. Alkorta I., Rozas I., and Elguero J. J. Fluorine Chem. 101 (2000) 233
19. Li X., Liu L., and Schlegel B. J. Am. Chem. Soc. 124 (2002) 9639
20. Alabugin I.V., Manoharan M., Peabody S., and Weinhold F. J. Am. Chem. Soc. 125 (2003) 5973
21. Karpfen A., and Kryachko E.S. Chem. Phys. 310 (2005) 77
22. Allerhand A., and Schleyer R. J. Am. Chem. Soc. 85 (1963) 1715
23. Scheiner S., Grabowski S.J., and Kar T. J. Phys. Chem. A 105 (2001) 10607
24. Domagała M., and Grabowski S.J. J. Phys. Chem. A 109 (2005) 5683
25. Frisch M.J., et al. Gaussian 2003, Revision B.03 (2003), Gaussian, Inc., Pittsburgh, PA
26. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
27. Bader R.F.W. Atoms in Molecules: A Quantum Theory (1990), Oxford University Press, New York
28. AIM2000 designed by Friedrich Biegler-König, University of Applied Sciences, Bielefeld, Germany.
29. Grabowski S.J. J. Phys. Chem. A 105 (2001) 10739
30. Gilli P., Bertolasi V., Ferretti V., and Gilli G. J. Am. Chem. Soc. 116 (1994) 909
31. Grabowski S.J., and Krygowski T.M. Tetrahedron 54 (1998) 5683
32. Grabowski S.J. J. Phys. Org. Chem. 17 (2004) 18
33. Pacios L.F. Struct. Chem. 16 (2005) 223
34. Breneman C.M., and Wiberg K.B. J. Comput. Chem. 11 (1990) 361
35. Szefczyk B., Sokalski W.A., and Leszczynski J. J. Chem. Phys. 117 (2002) 6952
36. Slee T., Larouche A., and Bader R.F.W. J. Phys. Chem. 92 (1988) 6219